1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine

C12H12BrNO — CID 106887821

IUPAC1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1cccc(Br)c1
InChIInChI=1S/C12H12BrNO/c1-14-8-12-11(5-6-15-12)9-3-2-4-10(13)7-9/h2-7,14H,8H2,1H3
InChIKeyUCZGQQCBMPKDGI-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.43
Rot. Bonds3

About 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine

1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 106887821) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
PubChem CID106887821
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1cccc(Br)c1
InChIInChI=1S/C12H12BrNO/c1-14-8-12-11(5-6-15-12)9-3-2-4-10(13)7-9/h2-7,14H,8H2,1H3
InChIKeyUCZGQQCBMPKDGI-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887819
N-methyl-1-(3-phenylfuran-2-yl)methanamine
CID 106886773
1-[3-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106886849
1-[3-[(3-bromophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
CID 82832319
1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 106888684
N-methyl-1-[3-(4-phenoxyphenyl)furan-2-yl]methanamine
CID 106888567
1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine
CID 43275238
1-[3-(3-chlorophenyl)furan-2-yl]-N-[[3-(3-chlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 70624980
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 106886792
1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine
CID 106887486
N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887777
N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine
CID 106888309

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine (CID 106887821) is 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine is CNCc1occc1-c1cccc(Br)c1.
What is the InChIKey of 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is UCZGQQCBMPKDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-14-8-12-11(5-6-15-12)9-3-2-4-10(13)7-9/h2-7,14H,8H2,1H3.
What are the key properties of 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine?
1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 266.14 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106887821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).